1-[4-(4-fluorophenyl)-2,6-di(propan-2-yl)phenyl]-2-[3-[[3-[1-[4-(4-methylphenyl)-2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenyl]methyl]phenyl]benzimidazole

C60H59FN4 — CID 159030794

About 1-[4-(4-fluorophenyl)-2,6-di(propan-2-yl)phenyl]-2-[3-[[3-[1-[4-(4-methylphenyl)-2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenyl]methyl]phenyl]benzimidazole

1-[4-(4-fluorophenyl)-2,6-di(propan-2-yl)phenyl]-2-[3-[[3-[1-[4-(4-methylphenyl)-2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenyl]methyl]phenyl]benzimidazole (PubChem CID 159030794) has the molecular formula C60H59FN4 and a molecular weight of 855.16 g/mol. Its IUPAC name is 1-[4-(4-fluorophenyl)-2,6-di(propan-2-yl)phenyl]-2-[3-[[3-[1-[4-(4-methylphenyl)-2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenyl]methyl]phenyl]benzimidazole.

Molecular Properties

• Compound Name: 1-[4-(4-fluorophenyl)-2,6-di(propan-2-yl)phenyl]-2-[3-[[3-[1-[4-(4-methylphenyl)-2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenyl]methyl]phenyl]benzimidazole
• PubChem CID: 159030794
• Molecular Formula: C60H59FN4
• Molecular Weight: 855.16 g/mol
• Exact Mass: 854.47
• IUPAC Name: 1-[4-(4-fluorophenyl)-2,6-di(propan-2-yl)phenyl]-2-[3-[[3-[1-[4-(4-methylphenyl)-2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenyl]methyl]phenyl]benzimidazole
• SMILES: Cc1ccc(-c2cc(C(C)C)c(-n3ccnc3-c3cccc(Cc4cccc(-c5nc6ccccc6n5-c5c(C(C)C)cc(-c6ccc(F)cc6)cc5C(C)C)c4)c3)c(C(C)C)c2)cc1
• InChI: InChI=1S/C60H59FN4/c1-37(2)51-33-48(44-22-20-41(9)21-23-44)34-52(38(3)4)57(51)64-29-28-62-59(64)46-16-12-14-42(31-46)30-43-15-13-17-47(32-43)60-63-55-18-10-11-19-56(55)65(60)58-53(39(5)6)35-49(36-54(58)40(7)8)45-24-26-50(61)27-25-45/h10-29,31-40H,30H2,1-9H3
• InChIKey: DLJVIQIKINCZFV-UHFFFAOYSA-N
• XLogP: 16.41
• TPSA: 35.64 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 12
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	855.16
LogP ≤ 5	16.41
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-fluorophenyl)-2,6-di(propan-2-yl)phenyl]-2-[3-[[3-[1-[4-(4-methylphenyl)-2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenyl]methyl]phenyl]benzimidazole?

The IUPAC name of 1-[4-(4-fluorophenyl)-2,6-di(propan-2-yl)phenyl]-2-[3-[[3-[1-[4-(4-methylphenyl)-2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenyl]methyl]phenyl]benzimidazole (CID 159030794) is 1-[4-(4-fluorophenyl)-2,6-di(propan-2-yl)phenyl]-2-[3-[[3-[1-[4-(4-methylphenyl)-2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenyl]methyl]phenyl]benzimidazole.

What is the SMILES notation for 1-[4-(4-fluorophenyl)-2,6-di(propan-2-yl)phenyl]-2-[3-[[3-[1-[4-(4-methylphenyl)-2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenyl]methyl]phenyl]benzimidazole?

The canonical SMILES for 1-[4-(4-fluorophenyl)-2,6-di(propan-2-yl)phenyl]-2-[3-[[3-[1-[4-(4-methylphenyl)-2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenyl]methyl]phenyl]benzimidazole is Cc1ccc(-c2cc(C(C)C)c(-n3ccnc3-c3cccc(Cc4cccc(-c5nc6ccccc6n5-c5c(C(C)C)cc(-c6ccc(F)cc6)cc5C(C)C)c4)c3)c(C(C)C)c2)cc1.

What is the InChIKey of 1-[4-(4-fluorophenyl)-2,6-di(propan-2-yl)phenyl]-2-[3-[[3-[1-[4-(4-methylphenyl)-2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenyl]methyl]phenyl]benzimidazole?

The InChIKey is DLJVIQIKINCZFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H59FN4/c1-37(2)51-33-48(44-22-20-41(9)21-23-44)34-52(38(3)4)57(51)64-29-28-62-59(64)46-16-12-14-42(31-46)30-43-15-13-17-47(32-43)60-63-55-18-10-11-19-56(55)65(60)58-53(39(5)6)35-49(36-54(58)40(7)8)45-24-26-50(61)27-25-45/h10-29,31-40H,30H2,1-9H3.

What are the key properties of 1-[4-(4-fluorophenyl)-2,6-di(propan-2-yl)phenyl]-2-[3-[[3-[1-[4-(4-methylphenyl)-2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenyl]methyl]phenyl]benzimidazole?

1-[4-(4-fluorophenyl)-2,6-di(propan-2-yl)phenyl]-2-[3-[[3-[1-[4-(4-methylphenyl)-2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenyl]methyl]phenyl]benzimidazole has a molecular weight of 855.16 g/mol, XLogP of 16.41, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-(4-fluorophenyl)-2,6-di(propan-2-yl)phenyl]-2-[3-[[3-[1-[4-(4-methylphenyl)-2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenyl]methyl]phenyl]benzimidazole is sourced from PubChem (CID 159030794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).